• Bulletin of the Korean Chemical Society
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• v.25 no.7
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• pp.1095-1098
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• 2004

• Applied Chemistry for Engineering
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• v.21 no.1
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• pp.29-33
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• 2010

In this study, boron, carbon, nitrogen and fluorine co-doped $TiO_{2}$ photocatalysts using tetraethylammonium tetrafluoroborate (TEATFB) have been prepared by different heat treatment temperatures to decrease the band gap. To explore the visible light photocatalytic activity of the novel low‐zband gap $TiO_{2}$ photocatalyst, the removal of two dyes was investigated, namely, acridine orange and rhodamine B. XRD patterns demonstrate that the samples calcined at temperatures up to $800^{\circ}C$ clearly show anatase peaks. The XPS results show that all the doped samples contain N, C, B and F elements and the doped $TiO_{2}$ shows the shift in the band gap transition down to 2.98 eV as UV-DRS results. In these UV-Vis results, photocatalytic activity of the doped $TiO_{2}$ is 1.61 times better than undoped $TiO_{2}$. Specially, excellent photoactivity results were obtained in the case of samples treated at $700^{\circ}C$.

• Journal of Industrial and Engineering Chemistry
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• v.68
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• pp.311-324
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• 2018

Herein,the Neodymium ion ($Nd^{3+}$) doped CoAl-LDH have been successfully prepared via co-precipitation method and was used as a precursor of Nd-doped CoAl-mixed metal oxides (MMO). The photocatalytic activity of doped LDH and MMO was investigated in the degradation of an azo dye, C.I. Acid Red 14, under visible light irradiation. DRS and PL analysis demonstrated decreasing in the band gap energy and recombination of photo-induced charge carriers of Nd-doped LDH and MMO compared with the pristine CoAL-LDH. Due to significant difference in photocatalytic performance. A power law empirical kinetic model was obtained for predicting the photocatalytic degradation efficiency.

• Bulletin of the Korean Chemical Society
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• v.30 no.1
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• pp.92-96
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• 2009

A new precursor [$Zr(acac)_{3}(H_{2}O)_{2}$] was synthesized by Sonochemical technique and used to deposit thin $ZrO_{2}$ film on quartz and ceramic substrate via ultrasonic aerosol assisted chemical vapour deposition (UAACVD) at 300 ${^{\circ}C}$ in oxygen environment followed by annealing of the sample for 2-3 minutes at 500 ${^{\circ}C}$ in nitrogen ambient. The molecular structure of the precursor determined by single crystal X-ray analysis revealed that the molecules are linked through intermolecular hydrogen bonds forming pseudo six and eight membered rings. DSC and TGA/FTIR techniques were used to determine thermal behavior and decomposition temperature of the precursor and nature of evolved gas products. The optical measurement of annealed $ZrO_{2}$ film with tetragonal phase shows optical energy band gap of 5.01 eV. The particle size, morphology, surface structure and composition of deposited films were investigated by XRD, SEM and EDX.

• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1356-1364
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• 2014

A new conjugated copolymer, poly{4,8-bis(triisopropylsilylethynyl)benzo[1,2-b:4,5-b']dithiophene-alt-4,7- bis(5-thiophen-2-yl)-5,6-difluoro-2-(heptadecan-9-yl)-2H-benzo[d][1,2,3]triazole} (PTIPSBDT-DFDTBTz), is synthesized by Stille coupling polycondensation. The synthesized polymer has a band gap energy of 1.9 eV, and it absorbs light in the range 300-610 nm. The hole mobility of a solution-processed organic thin-film transistor fabricated using PTIPSBDT-DFDTBTz is $3.8{\times}10^{-3}cm^2V^{-1}s^{-1}$. Bulk heterojunction photovoltaic cells are fabricated, with a conventional device structure of ITO/PEDOT:PSS/polymer:$PC_{71}BM$/Ca/Al ($PC_{71}BM$ = [6,6]-phenyl-$C_{71}$-butyric acid methyl ester); the device shows a power conversion efficiency (PCE) of 2.86% with an open-circuit voltage ($V_{oc}$) of 0.85 V, a short-circuit current density ($J_{sc}$) of 7.60 mA $cm^{-2}$, and a fill factor (FF) of 0.44. Inverted photovoltaic cells with the structure ITO/ethoxylated polyethlyenimine/ polymer:$PC_{71}BM/MoO_3$/Ag are also fabricated; the device exhibits a maximum PCE of 2.92%, with a $V_{oc}$ of 0.89 V, a $J_{sc}$ of 6.81 mA $cm^{-2}$, and an FF of 0.48.

• Applied Chemistry for Engineering
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• v.16 no.4
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• pp.563-569
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• 2005

In a direct sea water electrolysis system, deposits on the electrode cause decrease in the performance and increase in electrode damage. To reduce the deposition on the electrode, the modified cells were developed, namely: replaced grating type anodes with plate type ones; reduced the number of anodes from 9 to 8; widened the electrode gap from 2.4 mm to 3.0 mm; and reduced the number of spacers. that maintained the electrode gap, from 27 to 10. The developed cells were installed and tested at a power plant. The modified cells reduced deposition by 36~60%. The current efficiency increased by 15~20%. The electricity consumption reduced by 20%. In each case, the comparisons were between the modified cells and standard cells.

• Journal of Electrochemical Science and Technology
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• v.14 no.3
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• pp.243-251
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• 2023

Developing oxygen evolution reaction (OER) electrocatalysts is essential to accomplish viable CO₂ and water electrolysis. Herein, we report the fabrication and OER performance of Ni-foam (NF)-immobilized Ni₆ nanoclusters (NCs) (Ni₆/NF) prepared by a dip-coating process. The Ni₆/NF electrode exhibited a high current density of 500 mA/cm² for the OER at an overpotential as low as 0.39 V. Ni₆/NF exhibited high durability in an alkaline solution without corrosion. Electrokinetic studies revealed that OER can be easily initiated on Ni6 NC with fast electron-transfer rates. Finally, we demonstrated stable CO₂-to-CO electroreduction using an NC-based zero-gap CO₂ electrolyzer operated at a current density of 100 mA/cm² and a full-cell potential of 2.0 V for 12 h.

• Bulletin of the Korean Chemical Society
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• v.29 no.6
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• pp.1141-1148
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• 2008

Geometry optimizations and electronic structure calculations are reported for meso-tetraphenyl porphyrin (TPP) and a series of meso-substituted catecholic porphyrins (KP99150, KP99151, KP99152, KP99153, and KP99090) using density functional theory (DFT). The calculated B3LYP//RHF bond lengths are slightly longer than those of LSDA//RHF. The calculated electronic structures clearly show that TPP and meso-catecholic group contribute to π-electron conjugation along porphyrin ring for HOMO and LUMO, significantly reduced the HOMO-LUMO gap. The wavelength due to B3LYP energy gaps is favored with experimental value in Soret (B), and LSDA energy gaps are favored with experimental value in visible bands (Q). The electronic effect of the catecholic groups is to reduced energies of both the HOMOs and LUMOs. However, the distortion of porphyrin predominantly raises the energies of the HOMOs, so the net result is a large drop in HOMO and smaller drop in LUMO energies upon meso-substituted catecholic group of the porphyrin macrocycle as shown in KP99151 and KP99152 of Figure 5(a). These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

• Journal of the Korean Chemical Society
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• v.40 no.7
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• pp.483-491
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• 1996

Dieis-Alder reaction between cyclopentadiene and 5-membered ring compounds which have exo-cyclic double bond has been studied using the PM3 method. Transition states do not show large geometrical change with the variation of dienophiles. Two isomers are possible due to the rotation of the exo-cyclic double bond of a dienophile. The reactivity for the formation of different products are explained using the FMO energy gap. The exo and endo selectivity of the reaction has been also studied from the correlation between the deformation energy and the activation barrier. Minimum energy reaction path is discussed using the Curtin-Hammett principle.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1331-1335
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• 2011

We report the results of the characterization of Cu oxide thin films deposited by radio frequency (r.f.) magnetron sputtering at different annealing temperatures. The deposited Cu oxide thin films were investigated by scanning electron microscopy, spectroscopic ellipsometry, X-ray diffraction, atomic force microscopy, Xray photoelectron spectroscopy, and contact angle measurements. The thickness of the films was about 180 nm and the monoclinic CuO phase was detected. The $CuO_2$ and $Cu(OH)_2$ phases were grown as amorphous phase and the ratio of the three phases were independent on the annealing temperature. The surface of Cu oxide films changed from hydrophilic to hydrophobic as the annealing temperature increased. This phenomenon is due to the increase of the surface roughness. The direct optical band gap was also obtained and laid in the range between 2.36 and 3.06 eV.